4-[2-(hydroxymethyl)-3-nitro-phenyl]carbonyl-N,N-dimethyl-imidazole-1-sulfonamide

Systemtic Name: 4-[2-(hydroxymethyl)-3-nitro-phenyl]carbonyl-N,N-dimethyl-imidazole-1-sulfonamide Openeye Name: 4-[2-(hydroxymethyl)-3-nitro-benzoyl]-N,N-dimethyl-imidazole-1-sulfonamide CAS Name: 4-[[2-(hydroxymethyl)-3-nitrophenyl]-oxomethyl]-N,N-dimethyl-1-imidazolesulfonamide IUPAC Name: 4-[2-(hydroxymethyl)-3-nitrobenzoyl]-N,N-dimethylimidazole-1-sulfonamide Traditional Name: N,N-dimethyl-4-(2-methylol-3-nitro-benzoyl)imidazole-1-sulfonamide Formula: C13H14N4O6S MolecularWeight: 354.33846

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)N1C=C(N=C1)C(=O)C2=C(C(=CC=C2)[N+](=O)[O-])CO

Isomeric SMILES

CN(C)S(=O)(=O)N1C=C(N=C1)C(=O)C2=C(C(=CC=C2)[N+](=O)[O-])CO

InChI

InChI=1S/C13H14N4O6S/c1-15(2)24(22,23)16-6-11(14-8-16)13(19)9-4-3-5-12(17(20)21)10(9)7-18/h3-6,8,18H,7H2,1-2H3